1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea

C15H22N4O3 — CID 67256914

IUPAC1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea
SMILESNc1ccc(CNC(=O)NCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H22N4O3/c16-12-3-1-11(2-4-12)9-17-15(22)18-10-14(21)19-7-5-13(20)6-8-19/h1-4,13,20H,5-10,16H2,(H2,17,18,22)
InChIKeyFEBUEHQKNSOIBT-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.05
Rot. Bonds4

About 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea

1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea (PubChem CID 67256914) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea
PubChem CID67256914
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea
SMILESNc1ccc(CNC(=O)NCC(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H22N4O3/c16-12-3-1-11(2-4-12)9-17-15(22)18-10-14(21)19-7-5-13(20)6-8-19/h1-4,13,20H,5-10,16H2,(H2,17,18,22)
InChIKeyFEBUEHQKNSOIBT-UHFFFAOYSA-N
XLogP0.05
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-aminophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 53261396
1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 39581113
2-[1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidin-4-yl]acetic acid
CID 119178610
methyl (2S)-1-[2-[(4-aminophenyl)methylcarbamoylamino]acetyl]pyrrolidine-2-carboxylate
CID 67257573
1-[2-[(4-nitrophenyl)methylcarbamoylamino]acetyl]piperidine-4-carboxylic acid
CID 119349300
1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119354501
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
1-[(4-aminophenyl)methyl]-3-[4-(4-aminophenyl)-2-oxobutyl]urea
CID 160735036
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea?
The IUPAC name of 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea (CID 67256914) is 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea is Nc1ccc(CNC(=O)NCC(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea?
The InChIKey is FEBUEHQKNSOIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c16-12-3-1-11(2-4-12)9-17-15(22)18-10-14(21)19-7-5-13(20)6-8-19/h1-4,13,20H,5-10,16H2,(H2,17,18,22).
What are the key properties of 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea?
1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea has a molecular weight of 306.37 g/mol, XLogP of 0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 67256914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).